(E)-4-(3-fluoro-4-methoxyphenyl)pent-3-en-1-amine

C12H16FNO — CID 63970099

IUPAC(E)-4-(3-fluoro-4-methoxyphenyl)pent-3-en-1-amine
SMILESCOc1ccc(/C(C)=C/CCN)cc1F
InChIInChI=1S/C12H16FNO/c1-9(4-3-7-14)10-5-6-12(15-2)11(13)8-10/h4-6,8H,3,7,14H2,1-2H3/b9-4+
InChIKeyZSEPSFHEAVNJKT-RUDMXATFSA-N
MW209.26 g/mol
LogP2.59
Rot. Bonds4

About (E)-4-(3-fluoro-4-methoxyphenyl)pent-3-en-1-amine

(E)-4-(3-fluoro-4-methoxyphenyl)pent-3-en-1-amine (PubChem CID 63970099) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (E)-4-(3-fluoro-4-methoxyphenyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-4-(3-fluoro-4-methoxyphenyl)pent-3-en-1-amine
PubChem CID63970099
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(E)-4-(3-fluoro-4-methoxyphenyl)pent-3-en-1-amine
SMILESCOc1ccc(/C(C)=C/CCN)cc1F
InChIInChI=1S/C12H16FNO/c1-9(4-3-7-14)10-5-6-12(15-2)11(13)8-10/h4-6,8H,3,7,14H2,1-2H3/b9-4+
InChIKeyZSEPSFHEAVNJKT-RUDMXATFSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
2-fluoro-1-methoxy-4-prop-1-en-2-ylbenzene
CID 64665544
4-amino-1-(3-fluoro-4-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 116916448
3-chloro-2-(3-fluoro-4-methoxyphenyl)prop-2-enal
CID 173375029
5-amino-1-(3-fluoro-4-methoxyphenyl)pentan-1-one
CID 116571948
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-one
CID 116564462
(NE)-N-[1-(3-fluoro-4-methoxyphenyl)ethylidene]thiohydroxylamine
CID 154643359
(E)-4-(4-ethoxy-3-fluorophenyl)-5-methylhex-3-en-1-amine
CID 95462072
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
6-amino-1-(3-fluoro-4-methoxyphenyl)hexan-1-one
CID 116549979
2-(aminomethyl)-2-ethyl-1-(3-fluoro-4-methoxyphenyl)butan-1-one
CID 116603784
4-(3,4-dimethoxyphenyl)-N-ethylpent-3-en-1-amine
CID 79597937

Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-fluoro-4-methoxyphenyl)pent-3-en-1-amine?
The IUPAC name of (E)-4-(3-fluoro-4-methoxyphenyl)pent-3-en-1-amine (CID 63970099) is (E)-4-(3-fluoro-4-methoxyphenyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-4-(3-fluoro-4-methoxyphenyl)pent-3-en-1-amine?
The canonical SMILES for (E)-4-(3-fluoro-4-methoxyphenyl)pent-3-en-1-amine is COc1ccc(/C(C)=C/CCN)cc1F.
What is the InChIKey of (E)-4-(3-fluoro-4-methoxyphenyl)pent-3-en-1-amine?
The InChIKey is ZSEPSFHEAVNJKT-RUDMXATFSA-N. The full InChI is InChI=1S/C12H16FNO/c1-9(4-3-7-14)10-5-6-12(15-2)11(13)8-10/h4-6,8H,3,7,14H2,1-2H3/b9-4+.
What are the key properties of (E)-4-(3-fluoro-4-methoxyphenyl)pent-3-en-1-amine?
(E)-4-(3-fluoro-4-methoxyphenyl)pent-3-en-1-amine has a molecular weight of 209.26 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-fluoro-4-methoxyphenyl)pent-3-en-1-amine is sourced from PubChem (CID 63970099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).